Cas no 2223033-07-4 (5-(Cyano-13C,15N)(thiophene-d2)-2-boronic acid pinacol ester)
2223033-07-4 structure
Product Name:5-(Cyano-13C,15N)(thiophene-d2)-2-boronic acid pinacol ester
CAS No:2223033-07-4
MF:C11H14BNO2S
MW:239.108748912811
CID:6810835
PubChem ID:49758625
Update Time:2025-03-04
5-(Cyano-13C,15N)(thiophene-d2)-2-boronic acid pinacol ester Chemical and Physical Properties
Names and Identifiers
-
- 5-(Cyano-13C,15N)(thiophene-d2)-2-boronic acid pinacol ester
- CS-19661
- AKOS015942184
- 2223033-07-4
-
- Inchi： 1S/C11H14BNO2S/c1-10(2)11(3,4)15-12(14-10)9-6-5-8(7-13)16-9/h5-6H,1-4H3/i5D,6D,7+1,13+1
- InChI Key： LKRPJAKTFWEYGA-URZHTNGJSA-N
- SMILES： S1C([13C]#[15N])=C([2H])C([2H])=C1B1OC(C)(C)C(C)(C)O1
Computed Properties
- Exact Mass: 239.0967733Da
- Monoisotopic Mass: 239.0967733Da
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 320
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 70.5?2
5-(Cyano-13C,15N)(thiophene-d2)-2-boronic acid pinacol ester Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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